#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nue s ASN 3 N 0.00 2.64 0.54 0.00 0.01 -1.26 -5.14 114.94 111.74 1nue s ASN 3 Ca 0.00 -0.48 -0.01 0.00 -0.71 0.00 0.00 52.86 51.66 1nue s ASN 3 Cb 0.00 -1.17 0.02 0.00 0.41 0.00 0.00 41.25 40.51 1nue s ASN 3 CO 0.00 -0.03 0.79 -0.76 -1.51 0.00 0.00 177.10 175.59 1nue s LEU 4 N 1.34 3.33 0.50 0.60 1.43 -1.26 -5.06 118.68 119.56 1nue s LEU 4 Ca 0.02 0.23 -0.22 0.00 -1.03 0.00 0.00 54.13 53.12 1nue s LEU 4 Cb -0.13 -3.08 -0.07 0.00 0.03 0.00 0.00 46.19 42.94 1nue s LEU 4 CO -0.08 -1.05 1.21 1.21 0.23 0.00 0.00 176.35 177.87 1nue n GLU 5 N -2.36 1.56 -4.24 1.70 2.13 -1.24 -4.72 120.64 113.47 1nue n GLU 5 Ca 0.05 0.57 -0.20 0.00 0.66 0.00 0.00 57.16 58.24 1nue n GLU 5 Cb 0.59 -2.37 -0.12 0.00 0.27 0.00 0.00 31.44 29.80 1nue n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1nue s ARG 6 N -2.55 0.94 0.09 5.31 1.81 -1.26 -1.03 118.95 122.26 1nue s ARG 6 Ca 0.68 -1.00 0.02 0.00 -1.72 0.00 0.00 55.73 53.71 1nue s ARG 6 Cb -0.46 -1.03 -0.04 0.00 -0.45 0.00 0.00 34.95 32.97 1nue s ARG 6 CO 0.52 0.24 -0.07 -0.08 -0.68 0.00 0.00 175.30 175.23 1nue s THR 7 N -1.19 0.72 -0.24 0.02 -1.32 -0.37 -4.75 115.64 108.51 1nue s THR 7 Ca 0.01 -1.75 -0.09 0.00 -1.21 0.00 0.00 61.69 58.66 1nue s THR 7 Cb -0.10 -1.46 -0.04 0.00 -1.51 0.00 0.00 72.50 69.40 1nue s THR 7 CO 0.03 -0.74 0.11 0.12 -2.21 0.00 0.00 174.62 171.93 1nue s PHE 8 N -3.06 3.19 -0.05 9.09 5.36 -1.26 -2.14 117.98 129.11 1nue s PHE 8 Ca 0.07 -0.07 0.05 0.00 -0.96 0.00 0.00 56.93 56.03 1nue s PHE 8 Cb 0.01 -2.24 -0.02 0.00 -0.34 0.00 0.00 43.02 40.43 1nue s PHE 8 CO -0.03 -0.13 -0.21 0.42 -1.46 0.00 0.00 175.22 173.81 1nue s ILE 9 N 1.29 2.43 -0.05 3.12 -1.09 -0.19 -2.01 121.20 124.69 1nue s ILE 9 Ca 0.06 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.54 1nue s ILE 9 Cb -0.15 -1.90 0.02 0.00 -1.58 0.00 0.00 42.46 38.85 1nue s ILE 9 CO 0.05 0.58 -0.06 0.00 -1.23 0.00 0.00 174.94 174.28 1nue s ALA 10 N -0.43 0.84 -0.25 9.38 0.00 -0.31 -0.60 121.76 130.38 1nue s ALA 10 Ca 0.04 -0.17 -0.22 0.00 0.00 0.00 0.00 51.96 51.62 1nue s ALA 10 Cb -0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1nue s ALA 10 CO 0.01 -0.05 0.71 0.42 0.00 0.00 0.00 175.76 176.86 1nue s ILE 11 N 1.00 4.92 0.89 0.00 1.01 0.11 -0.07 121.20 129.05 1nue s ILE 11 Ca -0.10 1.30 -0.12 0.00 0.00 0.00 0.00 60.65 61.74 1nue s ILE 11 Cb -0.14 -4.02 0.12 0.00 0.01 0.00 0.00 42.46 38.44 1nue s ILE 11 CO -0.00 -0.03 1.09 -0.54 0.00 0.00 0.00 174.94 175.47 1nue s LYS 12 N 2.66 1.31 0.37 2.79 1.02 0.69 -2.38 119.74 126.20 1nue s LYS 12 Ca 0.30 0.73 0.15 0.00 0.02 0.00 0.00 55.97 57.17 1nue s LYS 12 Cb -0.15 -1.82 1.02 0.00 -0.52 0.00 0.00 37.83 36.35 1nue s LYS 12 CO 0.08 -2.18 1.77 -1.35 -0.92 0.00 0.00 175.35 172.75 1nue h PRO 13 N -1.50 0.46 0.00 -1.68 0.11 -1.85 0.63 132.00 128.17 1nue h PRO 13 Ca -0.50 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1nue h PRO 13 Cb 1.29 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1nue h PRO 13 CO 0.56 0.30 -0.32 0.38 -0.21 0.00 0.00 178.00 178.72 1nue h ASP 14 N 0.47 0.00 -0.14 -2.05 2.03 -1.89 -0.50 116.42 114.35 1nue h ASP 14 Ca 0.59 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.69 1nue h ASP 14 Cb 1.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 1nue h ASP 14 CO -0.33 0.32 -0.67 1.23 -1.03 0.00 0.00 179.24 178.76 1nue h GLY 15 N 1.22 0.84 0.60 7.15 0.00 -1.06 -1.36 103.07 110.46 1nue h GLY 15 Ca -0.00 -1.08 -0.00 0.00 0.00 0.00 0.00 47.33 46.24 1nue h GLY 15 CO 0.04 0.97 -0.01 -2.08 0.00 0.00 0.00 176.54 175.46 1nue h VAL 16 N 0.55 1.33 -0.73 4.60 2.07 -1.31 -0.86 116.25 121.90 1nue h VAL 16 Ca -0.02 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.55 1nue h VAL 16 Cb 1.27 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 1nue h VAL 16 CO 0.14 0.26 0.48 1.56 0.02 0.00 0.00 177.57 180.02 1nue h GLN 17 N -0.38 0.89 -0.24 1.57 1.08 -1.11 -1.67 115.11 115.24 1nue h GLN 17 Ca 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1nue h GLN 17 Cb 0.42 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1nue h GLN 17 CO 0.00 0.59 0.00 0.54 -0.95 0.00 0.00 178.83 179.01 1nue n ARG 18 N -4.45 1.56 -3.46 1.46 1.74 -0.51 -4.94 116.66 108.07 1nue n ARG 18 Ca 0.09 -0.88 -0.20 0.00 -0.77 0.00 0.00 57.85 56.09 1nue n ARG 18 Cb 0.10 -1.19 0.08 0.00 -1.02 0.00 0.00 32.46 30.42 1nue n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nue n GLY 19 N 0.89 -0.40 0.49 -0.13 0.00 -0.63 -4.93 105.19 100.48 1nue n GLY 19 Ca 0.08 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1nue n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nue n LEU 20 N -4.43 2.69 -0.06 0.99 4.77 -0.34 -4.69 117.00 115.92 1nue n LEU 20 Ca -0.08 -1.98 -0.10 0.00 -0.03 0.00 0.00 56.01 53.82 1nue n LEU 20 Cb 0.59 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1nue n LEU 20 CO 0.59 0.67 0.96 0.58 -1.33 0.00 0.00 177.39 178.86 1nue h VAL 21 N 1.55 1.07 -0.52 4.08 2.07 -1.89 -1.65 116.25 120.97 1nue h VAL 21 Ca 0.00 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 1nue h VAL 21 Cb 0.67 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1nue h VAL 21 CO 0.00 0.07 -0.08 1.23 0.02 0.00 0.00 177.57 178.81 1nue h GLY 22 N 0.31 1.05 1.03 2.17 0.00 -1.96 -2.06 103.07 103.62 1nue h GLY 22 Ca 0.09 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.56 1nue h GLY 22 CO -0.02 0.76 0.45 -2.09 0.00 0.00 0.00 176.54 175.64 1nue h GLU 23 N 0.84 1.20 -0.12 4.80 4.57 -1.84 -1.33 114.58 122.69 1nue h GLU 23 Ca 0.14 -0.15 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 1nue h GLU 23 Cb 0.63 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1nue h GLU 23 CO 0.04 0.89 -0.21 0.82 -1.18 0.00 0.00 179.01 179.37 1nue h ILE 24 N 1.19 1.38 -0.79 2.32 2.04 -1.07 -2.97 117.51 119.61 1nue h ILE 24 Ca 0.30 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1nue h ILE 24 Cb 0.06 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 1nue h ILE 24 CO -0.04 0.43 0.49 0.40 0.00 0.00 0.00 178.15 179.43 1nue h ILE 25 N -0.06 1.21 -0.70 -0.67 2.04 -1.30 -2.30 117.51 115.74 1nue h ILE 25 Ca 0.01 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.48 1nue h ILE 25 Cb 0.79 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1nue h ILE 25 CO 0.05 0.22 0.46 0.50 0.00 0.00 0.00 178.15 179.37 1nue h LYS 26 N 1.07 0.74 -0.55 2.37 3.64 -1.24 -0.87 116.57 121.73 1nue h LYS 26 Ca 0.28 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 1nue h LYS 26 Cb -0.07 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 1nue h LYS 26 CO -0.06 0.49 0.14 0.00 -2.27 0.00 0.00 179.45 177.75 1nue h ARG 27 N 0.76 0.83 -0.02 1.90 3.08 -1.25 -0.87 114.38 118.82 1nue h ARG 27 Ca 0.29 -0.16 -0.23 0.00 0.07 0.00 0.00 59.98 59.95 1nue h ARG 27 Cb 0.19 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1nue h ARG 27 CO -0.09 0.74 -0.92 0.74 -1.07 0.00 0.00 179.97 179.37 1nue h PHE 28 N 0.81 0.69 -0.24 3.04 0.04 -1.24 -3.03 116.94 117.00 1nue h PHE 28 Ca 0.18 -0.36 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 1nue h PHE 28 Cb 0.28 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1nue h PHE 28 CO 0.02 1.17 0.07 0.93 -0.60 0.00 0.00 178.31 179.90 1nue h GLU 29 N 0.28 0.37 -0.10 1.51 5.08 -0.98 -2.78 114.58 117.95 1nue h GLU 29 Ca -0.08 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1nue h GLU 29 Cb 1.55 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1nue h GLU 29 CO 0.16 0.45 -0.04 1.96 -1.00 0.00 0.00 179.01 180.54 1nue h GLN 30 N 0.21 0.14 0.00 2.33 4.20 -1.23 -2.13 115.11 118.64 1nue h GLN 30 Ca 0.08 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1nue h GLN 30 Cb 0.24 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1nue h GLN 30 CO -0.00 0.19 -0.42 -0.22 -0.67 0.00 0.00 178.83 177.71 1nue h LYS 31 N 0.14 0.00 0.00 1.46 1.63 -1.42 -3.47 116.57 114.90 1nue h LYS 31 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1nue h LYS 31 Cb 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1nue h LYS 31 CO 0.01 0.42 0.00 0.41 -3.45 0.00 0.00 179.45 176.84 1nue n GLY 32 N -0.14 1.13 3.85 5.01 0.00 -0.80 -5.11 105.19 109.13 1nue n GLY 32 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1nue n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nue s PHE 33 N -2.00 3.45 -0.16 1.61 0.08 -1.06 -5.00 117.98 114.90 1nue s PHE 33 Ca 0.00 1.42 -0.06 0.00 0.12 0.00 0.00 56.93 58.41 1nue s PHE 33 Cb 0.00 -2.79 -0.04 0.00 -0.57 0.00 0.00 43.02 39.62 1nue s PHE 33 CO 0.00 -0.55 0.05 0.50 -0.10 0.00 0.00 175.22 175.12 1nue s ARG 34 N -4.41 3.75 -0.14 0.44 3.52 -0.61 -4.62 118.95 116.89 1nue s ARG 34 Ca 0.58 -0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 55.53 1nue s ARG 34 Cb -0.11 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 1nue s ARG 34 CO 0.39 0.38 1.05 -1.17 -0.81 0.00 0.00 175.30 175.14 1nue s LEU 35 N 0.06 4.21 -0.20 -0.88 2.96 -1.26 -0.55 118.68 123.02 1nue s LEU 35 Ca 0.05 1.53 0.06 0.00 -0.22 0.00 0.00 54.13 55.55 1nue s LEU 35 Cb -0.12 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.86 1nue s LEU 35 CO 0.01 -0.54 -0.11 0.52 -1.32 0.00 0.00 176.35 174.91 1nue n VAL 36 N 4.81 1.19 -3.72 1.68 0.31 0.34 -4.94 118.33 118.00 1nue n VAL 36 Ca 0.10 -0.54 -0.13 0.00 -0.01 0.00 0.00 64.34 63.77 1nue n VAL 36 Cb 0.47 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.30 1nue n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nue s ALA 37 N -2.42 -0.85 -0.28 3.52 0.00 -1.15 -0.97 121.76 119.62 1nue s ALA 37 Ca -0.22 0.23 -0.20 0.00 0.00 0.00 0.00 51.96 51.77 1nue s ALA 37 Cb 0.07 0.26 0.12 0.00 0.00 0.00 0.00 23.12 23.56 1nue s ALA 37 CO 0.55 -0.39 0.91 1.41 0.00 0.00 0.00 175.76 178.24 1nue s MET 38 N -2.18 0.53 0.08 0.00 0.00 -1.26 -1.47 119.30 115.00 1nue s MET 38 Ca -0.07 0.79 -0.16 0.00 0.00 0.00 0.00 55.69 56.25 1nue s MET 38 Cb -0.02 0.17 0.03 0.00 0.00 0.00 0.00 34.83 35.02 1nue s MET 38 CO -0.01 -0.09 0.37 -1.59 0.00 0.00 0.00 175.02 173.70 1nue s LYS 39 N 0.95 0.95 -0.14 4.11 -2.85 -0.17 -5.01 119.74 117.58 1nue s LYS 39 Ca -0.04 -0.58 0.01 0.00 -1.00 0.00 0.00 55.97 54.35 1nue s LYS 39 Cb -0.04 0.41 -0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1nue s LYS 39 CO -0.12 -0.34 -0.16 0.12 0.10 0.00 0.00 175.35 174.96 1nue s PHE 40 N -3.13 2.76 0.22 1.78 5.36 -1.26 -0.67 117.98 123.04 1nue s PHE 40 Ca -0.01 -0.97 -0.21 0.00 -0.96 0.00 0.00 56.93 54.77 1nue s PHE 40 Cb 0.01 -1.86 0.04 0.00 -0.34 0.00 0.00 43.02 40.87 1nue s PHE 40 CO -0.07 -0.42 0.65 -0.48 -1.46 0.00 0.00 175.22 173.44 1nue s LEU 41 N 0.67 -0.35 -0.33 6.12 2.34 -0.67 -4.96 118.68 121.51 1nue s LEU 41 Ca -0.08 -0.35 -0.11 0.00 0.06 0.00 0.00 54.13 53.65 1nue s LEU 41 Cb -0.16 2.61 -0.00 0.00 -0.56 0.00 0.00 46.19 48.08 1nue s LEU 41 CO 0.02 -1.17 0.19 -0.60 -1.06 0.00 0.00 176.35 173.73 1nue s ARG 42 N -3.85 3.27 0.20 1.48 3.52 -1.26 0.30 118.95 122.61 1nue s ARG 42 Ca 0.07 -0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 1nue s ARG 42 Cb -0.03 -3.66 -0.08 0.00 -1.56 0.00 0.00 34.95 29.62 1nue s ARG 42 CO -0.02 -0.48 1.03 0.00 -0.81 0.00 0.00 175.30 175.02 1nue s ALA 43 N 1.63 3.35 0.73 6.12 0.00 -1.26 -5.02 121.76 127.31 1nue s ALA 43 Ca 0.04 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 1nue s ALA 43 Cb -0.18 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.68 1nue s ALA 43 CO 0.07 -0.06 1.07 -1.54 0.00 0.00 0.00 175.76 175.31 1nue s SER 44 N -0.51 4.98 0.31 0.00 1.04 -1.26 -4.60 113.70 113.67 1nue s SER 44 Ca 0.46 1.70 0.02 0.00 0.48 0.00 0.00 55.95 58.60 1nue s SER 44 Cb -0.28 -2.50 0.52 0.00 0.10 0.00 0.00 66.02 63.87 1nue s SER 44 CO 0.34 -1.71 1.88 -0.33 0.98 0.00 0.00 173.24 174.40 1nue h GLU 45 N -0.90 0.70 -0.65 4.02 5.08 -1.96 -1.30 114.58 119.56 1nue h GLU 45 Ca -0.44 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 57.72 1nue h GLU 45 Cb 1.22 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1nue h GLU 45 CO 0.54 0.64 0.12 0.93 -1.00 0.00 0.00 179.01 180.24 1nue h GLU 46 N 0.69 1.07 -0.03 2.33 4.39 -1.99 0.16 114.58 121.20 1nue h GLU 46 Ca 0.16 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 59.59 1nue h GLU 46 Cb 0.25 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1nue h GLU 46 CO -0.00 0.98 -0.03 1.25 -1.16 0.00 0.00 179.01 180.05 1nue h HIS 47 N 0.99 -0.07 -0.13 4.33 2.76 -1.80 -0.55 115.15 120.69 1nue h HIS 47 Ca 0.20 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.32 1nue h HIS 47 Cb 0.42 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 1nue h HIS 47 CO 0.03 -0.05 -0.17 -0.07 -1.30 0.00 0.00 177.93 176.37 1nue h LEU 48 N -0.04 0.20 -0.55 0.26 3.38 -0.95 0.56 115.31 118.18 1nue h LEU 48 Ca 0.02 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1nue h LEU 48 Cb 0.07 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1nue h LEU 48 CO -0.06 0.40 -0.16 0.11 0.09 0.00 0.00 178.44 178.82 1nue h LYS 49 N 0.20 1.00 0.22 1.13 1.57 -0.38 0.61 116.57 120.92 1nue h LYS 49 Ca 0.04 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1nue h LYS 49 Cb 0.43 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1nue h LYS 49 CO 0.03 1.07 -0.11 1.96 -0.57 0.00 0.00 179.45 181.84 1nue h GLN 50 N 0.88 -0.29 -0.87 3.15 1.08 -0.19 0.54 115.11 119.42 1nue h GLN 50 Ca 0.13 0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.44 1nue h GLN 50 Cb 0.73 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 28.15 1nue h GLN 50 CO 0.06 -0.14 0.51 1.25 -0.95 0.00 0.00 178.83 179.56 1nue h HIS 51 N -0.37 0.93 -0.40 2.96 2.76 -0.63 -1.75 115.15 118.65 1nue h HIS 51 Ca -0.03 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1nue h HIS 51 Cb 0.28 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.95 1nue h HIS 51 CO -0.04 0.39 0.00 0.66 -1.30 0.00 0.00 177.93 177.64 1nue n TYR 52 N -4.70 1.36 -0.31 5.26 4.01 0.18 -4.75 117.16 118.21 1nue n TYR 52 Ca 0.14 -0.79 0.13 0.00 -0.16 0.00 0.00 57.90 57.22 1nue n TYR 52 Cb 0.28 -0.37 0.27 0.00 -0.31 0.00 0.00 39.34 39.21 1nue n TYR 52 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1nue h ILE 53 N 2.75 0.18 0.00 -0.72 2.10 0.10 0.49 117.51 122.41 1nue h ILE 53 Ca 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.91 1nue h ILE 53 Cb 1.60 0.08 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 1nue h ILE 53 CO 0.31 0.02 0.00 -0.90 -1.08 0.00 0.00 178.15 176.50 1nue n ASP 54 N -5.36 0.00 -0.33 2.19 5.75 -1.26 -0.46 116.55 117.08 1nue n ASP 54 Ca 0.21 0.22 0.03 0.00 -0.01 0.00 0.00 54.79 55.25 1nue n ASP 54 Cb 0.69 -0.26 0.06 0.00 -1.03 0.00 0.00 41.12 40.59 1nue n ASP 54 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nue n LEU 55 N -1.26 2.11 0.21 -2.12 4.77 0.17 -4.74 117.00 116.14 1nue n LEU 55 Ca 0.01 -1.56 0.16 0.00 -0.03 0.00 0.00 56.01 54.59 1nue n LEU 55 Cb 0.02 -0.08 0.67 0.00 -2.33 0.00 0.00 43.42 41.70 1nue n LEU 55 CO 0.02 0.50 1.14 0.07 -1.33 0.00 0.00 177.39 177.78 1nue h LYS 56 N 1.23 0.00 -0.65 3.23 2.10 -0.78 0.11 116.57 121.81 1nue h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nue h LYS 56 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1nue h LYS 56 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1nue n ASP 57 N -3.13 4.19 -4.84 7.07 8.00 -1.26 -4.93 116.55 121.63 1nue n ASP 57 Ca 0.03 -2.20 -0.34 0.00 0.71 0.00 0.00 54.79 52.98 1nue n ASP 57 Cb 0.62 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1nue n ASP 57 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1nue s ARG 58 N -1.38 4.02 0.19 -1.24 1.81 0.39 -4.99 118.95 117.74 1nue s ARG 58 Ca 0.47 0.57 -0.12 0.00 -1.72 0.00 0.00 55.73 54.93 1nue s ARG 58 Cb 0.27 -2.77 0.17 0.00 -0.45 0.00 0.00 34.95 32.17 1nue s ARG 58 CO 0.28 0.37 1.77 -1.35 -0.68 0.00 0.00 175.30 175.68 1nue h PRO 59 N 3.09 0.42 0.00 3.54 0.11 -1.93 -1.92 132.00 135.31 1nue h PRO 59 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1nue h PRO 59 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1nue h PRO 59 CO 0.66 0.28 0.00 1.97 -0.21 0.00 0.00 178.00 180.70 1nue n PHE 60 N -4.94 0.00 -0.18 0.65 1.16 -1.26 -4.33 117.46 108.55 1nue n PHE 60 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.60 1nue n PHE 60 Cb 0.18 -0.46 0.04 0.00 -1.61 0.00 0.00 39.48 37.62 1nue n PHE 60 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1nue h PHE 61 N 0.00 -0.47 -0.57 2.97 3.57 -1.60 0.01 116.94 120.84 1nue h PHE 61 Ca 0.00 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1nue h PHE 61 Cb 0.39 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 1nue h PHE 61 CO 0.00 -0.29 0.16 -1.35 -2.23 0.00 0.00 178.31 174.60 1nue h PRO 62 N -0.06 0.87 -0.30 6.41 0.11 -1.79 -1.60 132.00 135.63 1nue h PRO 62 Ca 0.26 -0.17 -0.15 0.00 0.11 0.00 0.00 66.00 66.05 1nue h PRO 62 Cb 0.46 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1nue h PRO 62 CO -0.60 0.76 -0.40 0.78 -0.21 0.00 0.00 178.00 178.33 1nue h GLY 63 N 0.99 0.80 0.88 -0.55 0.00 -1.63 -1.68 103.07 101.88 1nue h GLY 63 Ca 0.19 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1nue h GLY 63 CO -0.01 0.74 -0.24 -2.00 0.00 0.00 0.00 176.54 175.03 1nue h LEU 64 N 0.60 -0.61 -0.99 3.11 5.85 -0.66 -1.57 115.31 121.05 1nue h LEU 64 Ca 0.05 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1nue h LEU 64 Cb 0.95 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 1nue h LEU 64 CO 0.09 -0.39 0.64 0.58 -0.34 0.00 0.00 178.44 179.02 1nue h VAL 65 N -0.61 1.09 0.03 1.05 2.07 -1.25 -0.46 116.25 118.17 1nue h VAL 65 Ca -0.04 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1nue h VAL 65 Cb 0.50 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1nue h VAL 65 CO 0.04 0.21 -0.16 0.11 0.02 0.00 0.00 177.57 177.80 1nue h LYS 66 N 1.16 -0.27 -0.80 1.57 1.79 -0.93 -1.70 116.57 117.39 1nue h LYS 66 Ca 0.42 0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.87 1nue h LYS 66 Cb 0.16 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1nue h LYS 66 CO -0.17 -0.18 0.32 -0.92 -1.08 0.00 0.00 179.45 177.42 1nue h TYR 67 N -0.28 1.22 0.00 -1.35 3.20 -0.66 -1.23 116.97 117.86 1nue h TYR 67 Ca 0.04 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1nue h TYR 67 Cb 0.33 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1nue h TYR 67 CO -0.20 0.92 0.00 0.52 -1.64 0.00 0.00 178.16 177.76 1nue h MET 68 N 1.16 0.00 -0.00 1.82 2.86 -0.89 -2.32 114.93 117.56 1nue h MET 68 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1nue h MET 68 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1nue h MET 68 CO -0.02 0.00 -0.81 -1.71 1.06 0.00 0.00 176.91 175.43 1nue n ASN 69 N -2.85 0.94 0.15 1.22 2.85 -0.66 -4.37 115.26 112.54 1nue n ASN 69 Ca 0.01 -0.83 0.13 0.00 -0.11 0.00 0.00 54.58 53.77 1nue n ASN 69 Cb 0.29 0.74 0.52 0.00 1.24 0.00 0.00 39.78 42.57 1nue n ASN 69 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1nue h SER 70 N 0.21 0.00 -5.10 1.20 4.64 -0.65 -3.46 113.55 110.40 1nue h SER 70 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1nue h SER 70 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1nue h SER 70 CO 0.00 0.00 0.18 -0.83 -0.87 0.00 0.00 176.83 175.31 1nue s GLY 71 N -3.62 0.55 0.81 -0.77 0.00 -1.26 -5.10 107.32 97.93 1nue s GLY 71 Ca 0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 44.72 43.77 1nue s GLY 71 CO 0.40 -0.43 1.10 2.56 0.00 0.00 0.00 173.10 176.73 1nue s PRO 72 N -2.55 1.97 0.07 2.90 0.04 -1.26 -4.60 135.00 131.57 1nue s PRO 72 Ca 0.18 0.68 0.05 0.00 0.04 0.00 0.00 61.00 61.95 1nue s PRO 72 Cb -0.04 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1nue s PRO 72 CO 0.13 -1.71 -0.14 0.08 0.04 0.00 0.00 177.00 175.40 1nue s VAL 73 N -3.12 1.09 -0.38 -0.36 1.01 0.15 -3.82 120.40 114.98 1nue s VAL 73 Ca 0.61 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1nue s VAL 73 Cb -0.15 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.20 1nue s VAL 73 CO 0.55 -0.24 0.20 -0.69 0.00 0.00 0.00 175.10 174.92 1nue s VAL 74 N -1.33 4.33 -0.13 2.92 1.01 -1.00 -1.67 120.40 124.54 1nue s VAL 74 Ca -0.02 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 1nue s VAL 74 Cb -0.10 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1nue s VAL 74 CO 0.02 -0.30 0.38 0.00 0.00 0.00 0.00 175.10 175.19 1nue s ALA 75 N 1.49 3.56 0.05 5.51 0.00 0.15 -0.72 121.76 131.80 1nue s ALA 75 Ca 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 1nue s ALA 75 Cb -0.20 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 1nue s ALA 75 CO 0.05 0.10 0.03 -1.64 0.00 0.00 0.00 175.76 174.29 1nue s MET 76 N 0.37 0.59 -0.11 0.00 -1.94 0.23 -1.00 119.30 117.45 1nue s MET 76 Ca 0.21 -1.00 0.02 0.00 -1.71 0.00 0.00 55.69 53.20 1nue s MET 76 Cb -0.14 0.22 0.02 0.00 2.01 0.00 0.00 34.83 36.93 1nue s MET 76 CO 0.07 -0.13 -0.15 0.08 -0.01 0.00 0.00 175.02 174.89 1nue s VAL 77 N -3.30 1.46 0.02 -6.03 1.01 -0.54 -1.03 120.40 111.99 1nue s VAL 77 Ca 0.01 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1nue s VAL 77 Cb 0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1nue s VAL 77 CO -0.08 0.43 -0.17 0.26 0.00 0.00 0.00 175.10 175.55 1nue s TRP 78 N 1.00 2.60 0.02 5.22 0.52 -0.91 -0.50 118.94 126.90 1nue s TRP 78 Ca -0.06 -0.23 0.09 0.00 0.02 0.00 0.00 56.10 55.91 1nue s TRP 78 Cb -0.15 -1.51 -0.03 0.00 -1.15 0.00 0.00 33.47 30.64 1nue s TRP 78 CO -0.02 0.24 -0.26 -2.00 0.02 0.00 0.00 176.95 174.94 1nue s GLU 79 N -1.27 1.93 0.00 4.98 2.12 0.29 -1.24 118.70 125.50 1nue s GLU 79 Ca 0.14 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.43 1nue s GLU 79 Cb -0.11 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.27 1nue s GLU 79 CO 0.04 0.53 0.00 0.41 -0.54 0.00 0.00 175.26 175.70 1nue n GLY 80 N 1.98 1.96 3.64 -1.50 0.00 -0.20 -1.57 105.19 109.51 1nue n GLY 80 Ca -0.17 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1nue n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nue s LEU 81 N 0.00 4.13 -1.69 0.99 2.96 -1.26 -2.16 118.68 121.66 1nue s LEU 81 Ca 0.00 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 1nue s LEU 81 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1nue s LEU 81 CO 0.00 -1.24 0.00 0.59 -1.32 0.00 0.00 176.35 174.38 1nue n ASN 82 N 8.42 -5.38 -0.00 3.68 4.13 -1.26 -4.89 115.26 119.96 1nue n ASN 82 Ca 0.21 0.09 0.05 0.00 1.68 0.00 0.00 54.58 56.61 1nue n ASN 82 Cb 0.43 -4.46 0.44 0.00 -1.54 0.00 0.00 39.78 34.65 1nue n ASN 82 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1nue h VAL 83 N 0.00 1.08 0.46 2.41 3.04 -1.73 -0.34 116.25 121.16 1nue h VAL 83 Ca -0.43 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.06 1nue h VAL 83 Cb 1.31 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 1nue h VAL 83 CO 0.53 0.10 -0.22 0.58 -1.01 0.00 0.00 177.57 177.55 1nue h VAL 84 N 0.52 0.55 -0.37 1.51 2.07 -1.85 0.40 116.25 119.08 1nue h VAL 84 Ca 0.16 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 67.51 1nue h VAL 84 Cb 0.01 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1nue h VAL 84 CO -0.04 0.01 -0.26 0.50 0.02 0.00 0.00 177.57 177.80 1nue h LYS 85 N -0.64 0.84 -0.23 1.57 1.63 -1.85 -2.39 116.57 115.50 1nue h LYS 85 Ca -0.06 -0.40 -0.14 0.00 -0.85 0.00 0.00 60.65 59.19 1nue h LYS 85 Cb 0.49 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 1nue h LYS 85 CO 0.10 1.04 -0.44 1.15 -3.45 0.00 0.00 179.45 177.86 1nue h THR 86 N 0.64 1.30 -0.88 1.00 2.02 -1.04 -1.95 112.91 114.00 1nue h THR 86 Ca 0.07 -1.62 -0.02 0.00 0.77 0.00 0.00 66.41 65.61 1nue h THR 86 Cb 0.84 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 1nue h THR 86 CO 0.07 0.51 0.46 1.23 0.37 0.00 0.00 175.52 178.16 1nue h GLY 87 N 1.05 1.33 1.13 2.16 0.00 -0.11 -0.78 103.07 107.84 1nue h GLY 87 Ca 0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 1nue h GLY 87 CO 0.08 0.60 0.28 3.21 0.00 0.00 0.00 176.54 180.72 1nue h ARG 88 N 1.24 1.11 -0.51 4.80 2.47 -1.11 -1.99 114.38 120.39 1nue h ARG 88 Ca 0.31 -0.20 -0.08 0.00 -1.26 0.00 0.00 59.98 58.75 1nue h ARG 88 Cb 0.06 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.18 1nue h ARG 88 CO -0.05 0.91 -0.00 0.28 0.56 0.00 0.00 179.97 181.67 1nue h VAL 89 N 1.08 1.25 -0.05 2.04 2.07 -0.59 -2.72 116.25 119.33 1nue h VAL 89 Ca 0.25 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 1nue h VAL 89 Cb 0.22 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1nue h VAL 89 CO -0.02 0.37 -0.45 0.24 0.02 0.00 0.00 177.57 177.73 1nue h MET 90 N 0.79 0.11 -0.18 1.57 2.86 -0.73 -3.12 114.93 116.23 1nue h MET 90 Ca 0.15 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 1nue h MET 90 Cb 0.48 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1nue h MET 90 CO 0.02 0.54 -0.24 -0.07 1.06 0.00 0.00 176.91 178.23 1nue h LEU 91 N 0.09 0.52 0.00 1.22 3.38 -1.22 0.03 115.31 119.34 1nue h LEU 91 Ca 0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1nue h LEU 91 Cb 0.84 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1nue h LEU 91 CO 0.06 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.13 1nue n GLY 92 N 0.27 -0.85 3.90 0.83 0.00 -1.04 -1.10 105.19 107.20 1nue n GLY 92 Ca -0.06 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 1nue n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nue s GLU 93 N 0.00 3.36 0.23 1.61 0.41 -1.26 -4.79 118.70 118.26 1nue s GLU 93 Ca 0.00 0.29 -0.06 0.00 -0.41 0.00 0.00 54.97 54.78 1nue s GLU 93 Cb 0.00 -2.26 0.35 0.00 -1.78 0.00 0.00 34.13 30.44 1nue s GLU 93 CO 0.00 -0.46 1.79 1.15 -0.49 0.00 0.00 175.26 177.25 1nue h THR 94 N -0.05 0.87 -3.56 3.63 2.02 -1.97 -3.36 112.91 110.49 1nue h THR 94 Ca -0.46 -0.23 -0.63 0.00 0.77 0.00 0.00 66.41 65.87 1nue h THR 94 Cb 1.22 0.15 -0.13 0.00 -1.74 0.00 0.00 68.15 67.65 1nue h THR 94 CO 0.62 0.12 0.16 0.21 0.37 0.00 0.00 175.52 176.99 1nue s ASN 95 N -5.53 6.44 0.54 4.18 2.47 -1.26 -4.71 114.94 117.06 1nue s ASN 95 Ca -0.13 0.19 0.30 0.00 0.42 0.00 0.00 52.86 53.64 1nue s ASN 95 Cb 0.18 -2.33 1.46 0.00 -1.45 0.00 0.00 41.25 39.11 1nue s ASN 95 CO 0.77 -0.59 1.92 -0.65 -3.72 0.00 0.00 177.10 174.83 1nue h PRO 96 N 8.43 0.00 -0.13 0.43 0.11 -1.77 0.10 132.00 139.17 1nue h PRO 96 Ca -0.26 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.86 1nue h PRO 96 Cb 1.11 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1nue h PRO 96 CO 0.84 0.00 0.09 0.00 -0.21 0.00 0.00 178.00 178.72 1nue h ALA 97 N 1.61 1.96 -0.01 -0.75 0.00 -1.88 -1.57 119.26 118.63 1nue h ALA 97 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1nue h ALA 97 Cb 1.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1nue h ALA 97 CO -0.00 0.02 -0.46 -0.25 0.00 0.00 0.00 179.25 178.55 1nue n ASP 98 N -4.52 1.05 -4.77 0.00 8.00 0.35 -4.94 116.55 111.72 1nue n ASP 98 Ca -0.01 -0.84 -0.38 0.00 0.71 0.00 0.00 54.79 54.28 1nue n ASP 98 Cb 0.12 0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 41.50 1nue n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nue s SER 99 N -2.70 7.29 0.17 -2.24 0.01 -0.59 -4.70 113.70 110.94 1nue s SER 99 Ca 0.17 1.94 -0.07 0.00 1.31 0.00 0.00 55.95 59.31 1nue s SER 99 Cb 0.18 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 1nue s SER 99 CO 0.63 -0.10 0.44 -0.54 0.41 0.00 0.00 173.24 174.07 1nue s LYS 100 N -1.90 3.69 0.35 12.44 -0.14 -1.26 -4.63 119.74 128.29 1nue s LYS 100 Ca 0.49 0.05 -0.28 0.00 -1.36 0.00 0.00 55.97 54.87 1nue s LYS 100 Cb -0.22 -2.78 -0.12 0.00 -1.68 0.00 0.00 37.83 33.03 1nue s LYS 100 CO 0.28 0.41 1.32 -2.30 -0.76 0.00 0.00 175.35 174.30 1nue n PRO 101 N 0.02 2.20 0.00 -1.68 -0.02 -1.26 -1.78 135.00 132.48 1nue n PRO 101 Ca -0.01 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1nue n PRO 101 Cb 0.52 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1nue n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nue n GLY 102 N 0.73 1.89 3.91 -1.23 0.00 -1.26 -4.98 105.19 104.25 1nue n GLY 102 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1nue n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nue s THR 103 N -2.11 3.97 0.09 2.61 -4.23 -0.73 -4.92 115.64 110.32 1nue s THR 103 Ca 0.00 0.15 -0.20 0.00 -1.18 0.00 0.00 61.69 60.46 1nue s THR 103 Cb 0.00 -3.57 -0.09 0.00 1.34 0.00 0.00 72.50 70.18 1nue s THR 103 CO 0.00 -0.61 1.62 0.40 -0.54 0.00 0.00 174.62 175.49 1nue h ILE 104 N -0.15 1.17 -0.03 2.99 2.04 -0.93 -1.40 117.51 121.21 1nue h ILE 104 Ca -0.46 -0.52 -0.17 0.00 1.00 0.00 0.00 64.86 64.72 1nue h ILE 104 Cb 1.24 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1nue h ILE 104 CO 0.61 0.17 -0.72 0.03 0.00 0.00 0.00 178.15 178.24 1nue h ARG 105 N 0.16 0.19 -0.23 2.37 3.08 -1.37 -1.98 114.38 116.60 1nue h ARG 105 Ca 0.06 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1nue h ARG 105 Cb 0.19 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1nue h ARG 105 CO -0.00 0.83 -0.12 0.78 -1.07 0.00 0.00 179.97 180.38 1nue h GLY 106 N 1.70 0.40 0.98 0.04 0.00 -1.68 -2.57 103.07 101.94 1nue h GLY 106 Ca -0.02 -0.26 -0.30 0.00 0.00 0.00 0.00 47.33 46.75 1nue h GLY 106 CO 0.11 0.24 -1.72 -0.55 0.00 0.00 0.00 176.54 174.62 1nue h ASP 107 N 0.35 0.10 -0.00 0.19 3.32 -1.16 -3.41 116.42 115.80 1nue h ASP 107 Ca 0.07 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1nue h ASP 107 Cb 0.43 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1nue h ASP 107 CO 0.02 1.19 -0.25 0.49 -1.72 0.00 0.00 179.24 178.97 1nue n PHE 108 N -3.16 0.00 -4.07 4.55 3.72 -0.75 -5.08 117.46 112.67 1nue n PHE 108 Ca -0.19 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.09 1nue n PHE 108 Cb 1.05 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.54 1nue n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nue n ILE 110 N -0.48 0.00 -4.61 0.00 5.41 -1.26 -4.76 119.36 113.66 1nue n ILE 110 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 1nue n ILE 110 Cb 0.62 -0.77 -0.11 0.00 -0.71 0.00 0.00 39.64 38.66 1nue n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1nue s GLN 111 N -1.94 2.47 0.55 0.38 0.74 -1.26 -3.90 119.66 116.71 1nue s GLN 111 Ca 0.00 -0.74 0.24 0.00 0.05 0.00 0.00 55.36 54.91 1nue s GLN 111 Cb 0.00 -2.43 1.49 0.00 1.10 0.00 0.00 33.01 33.18 1nue s GLN 111 CO 0.00 0.60 2.10 -0.24 -0.55 0.00 0.00 175.29 177.20 1nue h VAL 112 N 3.98 0.69 0.00 1.34 3.04 -1.95 -0.52 116.25 122.83 1nue h VAL 112 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1nue h VAL 112 Cb 1.16 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1nue h VAL 112 CO 0.52 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.69 1nue n GLY 113 N -1.50 -1.60 2.37 3.17 0.00 -1.26 -3.95 105.19 102.42 1nue n GLY 113 Ca 0.02 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1nue n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nue n ARG 114 N -2.02 0.90 -1.38 1.61 5.12 -0.21 -4.97 116.66 115.71 1nue n ARG 114 Ca 0.06 -3.54 -0.20 0.00 -1.93 0.00 0.00 57.85 52.24 1nue n ARG 114 Cb 0.38 -1.63 0.11 0.00 -1.16 0.00 0.00 32.46 30.16 1nue n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1nue n ASN 115 N 1.88 4.73 0.00 0.55 6.94 -1.20 -4.30 115.26 123.86 1nue n ASN 115 Ca 0.25 -3.77 0.00 0.00 -0.02 0.00 0.00 54.58 51.04 1nue n ASN 115 Cb 0.48 -0.64 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 1nue n ASN 115 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1nue n ILE 116 N -0.93 0.00 -3.80 1.53 -5.35 -1.26 -4.79 119.36 104.75 1nue n ILE 116 Ca 0.46 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.84 1nue n ILE 116 Cb 0.95 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.78 1nue n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1nue s ILE 117 N 0.00 0.11 0.01 7.28 2.07 -1.26 -0.22 121.20 129.18 1nue s ILE 117 Ca 0.00 -0.94 0.06 0.00 -1.41 0.00 0.00 60.65 58.36 1nue s ILE 117 Cb 0.00 -1.15 -0.02 0.00 0.13 0.00 0.00 42.46 41.43 1nue s ILE 117 CO 0.00 -0.52 -0.18 -2.28 -1.91 0.00 0.00 174.94 170.05 1nue s HIS 118 N -3.32 1.64 -0.03 3.50 5.65 0.90 -4.87 115.29 118.77 1nue s HIS 118 Ca 0.01 -0.33 -0.02 0.00 0.25 0.00 0.00 55.06 54.97 1nue s HIS 118 Cb 0.02 -1.03 0.01 0.00 -1.18 0.00 0.00 32.58 30.41 1nue s HIS 118 CO -0.08 0.01 0.06 0.20 -0.65 0.00 0.00 174.74 174.28 1nue s GLY 119 N -0.69 -0.01 0.43 1.59 0.00 -1.26 -1.16 107.32 106.21 1nue s GLY 119 Ca 0.07 0.25 -0.25 0.00 0.00 0.00 0.00 44.72 44.78 1nue s GLY 119 CO 0.00 0.35 1.26 1.44 0.00 0.00 0.00 173.10 176.15 1nue n SER 120 N 3.42 2.49 -0.39 1.64 7.64 -0.85 -4.93 113.62 122.64 1nue n SER 120 Ca -0.17 1.10 0.12 0.00 1.01 0.00 0.00 58.87 60.93 1nue n SER 120 Cb 0.57 -1.50 0.23 0.00 -1.01 0.00 0.00 64.21 62.51 1nue n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1nue n ASP 121 N 0.18 1.52 -3.61 6.43 5.68 -1.26 -4.78 116.55 120.71 1nue n ASP 121 Ca 0.07 -1.22 -0.10 0.00 -0.50 0.00 0.00 54.79 53.04 1nue n ASP 121 Cb 0.40 0.25 -0.02 0.00 -1.14 0.00 0.00 41.12 40.60 1nue n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1nue s SER 122 N -2.43 -0.43 0.22 -1.12 1.04 -1.26 -4.94 113.70 104.78 1nue s SER 122 Ca 0.23 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.31 1nue s SER 122 Cb 0.19 0.66 0.19 0.00 0.10 0.00 0.00 66.02 67.16 1nue s SER 122 CO 0.52 -1.13 1.86 0.58 0.98 0.00 0.00 173.24 176.04 1nue h VAL 123 N 2.00 1.24 -0.27 5.02 2.07 -1.93 -0.89 116.25 123.50 1nue h VAL 123 Ca -0.27 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 66.71 1nue h VAL 123 Cb 1.28 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1nue h VAL 123 CO 0.31 0.26 0.05 0.50 0.02 0.00 0.00 177.57 178.72 1nue h LYS 124 N 1.19 0.15 -0.48 1.57 3.64 -1.97 -0.01 116.57 120.66 1nue h LYS 124 Ca 0.31 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1nue h LYS 124 Cb -0.01 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1nue h LYS 124 CO -0.05 0.10 0.11 0.77 -2.27 0.00 0.00 179.45 178.11 1nue h SER 125 N 0.15 0.72 -0.32 4.20 0.02 -1.87 -2.81 113.55 113.64 1nue h SER 125 Ca 0.12 -0.23 0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1nue h SER 125 Cb 0.13 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.42 1nue h SER 125 CO -0.17 0.77 -0.05 0.00 -1.14 0.00 0.00 176.83 176.24 1nue h ALA 126 N 0.98 0.24 -0.72 3.77 0.00 -0.68 0.45 119.26 123.30 1nue h ALA 126 Ca 0.15 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1nue h ALA 126 Cb 0.33 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1nue h ALA 126 CO 0.00 -0.44 0.35 0.93 0.00 0.00 0.00 179.25 180.09 1nue h GLU 127 N 0.03 1.01 -0.13 0.00 4.39 -0.92 0.29 114.58 119.25 1nue h GLU 127 Ca 0.16 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1nue h GLU 127 Cb 0.23 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1nue h GLU 127 CO -0.31 0.77 -0.06 -0.22 -1.16 0.00 0.00 179.01 178.03 1nue h LYS 128 N 1.01 0.27 -0.44 2.33 3.64 -0.98 -2.28 116.57 120.12 1nue h LYS 128 Ca 0.25 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1nue h LYS 128 Cb 0.09 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1nue h LYS 128 CO -0.03 0.60 0.10 0.93 -2.27 0.00 0.00 179.45 178.78 1nue h GLU 129 N -0.08 0.70 -0.73 1.90 5.08 0.16 -0.66 114.58 120.95 1nue h GLU 129 Ca 0.03 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1nue h GLU 129 Cb 0.52 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1nue h GLU 129 CO 0.02 0.71 0.45 0.82 -1.00 0.00 0.00 179.01 180.01 1nue h ILE 130 N 0.57 1.07 -0.24 3.13 2.04 -0.43 -0.76 117.51 122.89 1nue h ILE 130 Ca 0.14 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 1nue h ILE 130 Cb 0.32 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1nue h ILE 130 CO 0.00 0.16 -0.25 0.28 0.00 0.00 0.00 178.15 178.34 1nue h SER 131 N 0.87 0.46 -0.25 1.72 0.02 -1.09 -1.11 113.55 114.17 1nue h SER 131 Ca 0.30 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1nue h SER 131 Cb 0.07 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1nue h SER 131 CO -0.13 0.71 -0.06 0.25 -1.14 0.00 0.00 176.83 176.46 1nue h LEU 132 N 0.41 0.49 0.00 5.07 5.85 -0.02 -3.35 115.31 123.76 1nue h LEU 132 Ca 0.06 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 1nue h LEU 132 Cb 0.66 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1nue h LEU 132 CO 0.05 0.74 -1.17 0.79 -0.34 0.00 0.00 178.44 178.52 1nue n TRP 133 N -4.55 0.98 -4.35 1.25 7.02 -0.40 -4.96 117.44 112.43 1nue n TRP 133 Ca -0.04 0.30 -0.19 0.00 -1.02 0.00 0.00 57.50 56.55 1nue n TRP 133 Cb 0.30 -1.01 -0.14 0.00 -2.42 0.00 0.00 31.31 28.04 1nue n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1nue s PHE 134 N -3.19 1.07 0.40 -5.99 0.08 -0.43 -5.10 117.98 104.82 1nue s PHE 134 Ca -0.01 -0.31 -0.15 0.00 0.12 0.00 0.00 56.93 56.57 1nue s PHE 134 Cb 0.09 -0.65 -0.08 0.00 -0.57 0.00 0.00 43.02 41.81 1nue s PHE 134 CO 0.80 0.01 0.82 0.15 -0.10 0.00 0.00 175.22 176.90 1nue s LYS 135 N -0.91 3.96 0.35 0.44 1.02 -1.26 -4.53 119.74 118.82 1nue s LYS 135 Ca 0.01 0.73 0.06 0.00 0.02 0.00 0.00 55.97 56.79 1nue s LYS 135 Cb -0.07 -2.33 0.73 0.00 -0.52 0.00 0.00 37.83 35.64 1nue s LYS 135 CO 0.01 -0.01 1.93 -1.35 -0.92 0.00 0.00 175.35 175.01 1nue h PRO 136 N 1.67 0.76 0.00 -1.68 0.11 -1.95 0.21 132.00 131.12 1nue h PRO 136 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1nue h PRO 136 Cb 1.18 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1nue h PRO 136 CO 0.63 0.50 0.00 -0.85 -0.21 0.00 0.00 178.00 178.08 1nue n GLU 137 N -4.50 0.62 0.00 1.05 0.00 -1.26 -1.94 120.64 114.60 1nue n GLU 137 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.41 1nue n GLU 137 Cb 0.29 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.41 1nue n GLU 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1nue n GLU 138 N -1.01 0.56 -3.23 3.44 1.02 0.73 -4.82 120.64 117.33 1nue n GLU 138 Ca 0.15 -0.39 -0.40 0.00 -0.02 0.00 0.00 57.16 56.50 1nue n GLU 138 Cb 0.07 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.93 1nue n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nue s LEU 139 N -2.71 4.07 -0.27 -4.62 1.43 -0.82 -4.58 118.68 111.19 1nue s LEU 139 Ca 0.17 0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 53.71 1nue s LEU 139 Cb 0.18 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 1nue s LEU 139 CO 0.64 -0.26 0.27 -0.69 0.23 0.00 0.00 176.35 176.53 1nue s VAL 140 N 2.16 5.25 -0.19 -1.59 1.01 -0.14 -5.03 120.40 121.87 1nue s VAL 140 Ca 0.22 0.36 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 1nue s VAL 140 Cb -0.16 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1nue s VAL 140 CO 0.09 0.22 0.10 -1.81 0.00 0.00 0.00 175.10 173.70 1nue s ASP 141 N 1.64 5.98 0.25 3.32 1.01 -1.26 -4.70 116.67 122.90 1nue s ASP 141 Ca 0.11 0.19 -0.21 0.00 0.71 0.00 0.00 52.55 53.35 1nue s ASP 141 Cb -0.16 -2.03 0.03 0.00 1.01 0.00 0.00 42.92 41.77 1nue s ASP 141 CO 0.10 0.20 0.67 -0.72 0.21 0.00 0.00 175.17 175.62 1nue s TYR 142 N 0.25 -0.23 -0.10 4.23 1.13 -1.26 -5.15 117.35 116.22 1nue s TYR 142 Ca 0.07 -0.17 0.02 0.00 -1.41 0.00 0.00 57.07 55.57 1nue s TYR 142 Cb -0.12 0.62 -0.01 0.00 -1.10 0.00 0.00 41.96 41.35 1nue s TYR 142 CO -0.01 -1.12 -0.16 0.21 -2.51 0.00 0.00 175.55 171.96 1nue s LYS 143 N -3.89 3.11 0.27 -3.49 2.20 -1.26 -5.08 119.74 111.60 1nue s LYS 143 Ca 0.09 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.67 1nue s LYS 143 Cb -0.04 -2.49 -0.10 0.00 -1.51 0.00 0.00 37.83 33.69 1nue s LYS 143 CO 0.02 0.29 1.34 -1.12 -0.36 0.00 0.00 175.35 175.52 1nue s SER 144 N 0.12 6.79 0.58 1.43 0.01 -1.26 -4.91 113.70 116.46 1nue s SER 144 Ca -0.08 2.58 0.35 0.00 1.31 0.00 0.00 55.95 60.12 1nue s SER 144 Cb -0.15 -2.63 1.75 0.00 0.21 0.00 0.00 66.02 65.20 1nue s SER 144 CO 0.05 -0.56 2.14 0.00 0.41 0.00 0.00 173.24 175.28 1nue n ALA 146 N -2.15 2.44 -0.23 0.00 0.00 -1.26 -4.55 120.51 114.75 1nue n ALA 146 Ca -0.01 -0.91 0.01 0.00 0.00 0.00 0.00 53.44 52.53 1nue n ALA 146 Cb 0.21 -0.95 0.09 0.00 0.00 0.00 0.00 19.45 18.80 1nue n ALA 146 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1nue h HIS 147 N 3.69 -0.30 0.00 0.00 6.17 -1.70 0.37 115.15 123.39 1nue h HIS 147 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1nue h HIS 147 Cb 0.82 0.24 0.00 0.00 2.52 0.00 0.00 27.41 30.99 1nue h HIS 147 CO 0.26 -0.28 0.00 -0.25 0.71 0.00 0.00 177.93 178.37 1nue n ASP 148 N -5.43 0.32 -0.05 3.26 8.00 -1.26 -1.18 116.55 120.21 1nue n ASP 148 Ca 0.09 0.57 0.11 0.00 0.71 0.00 0.00 54.79 56.28 1nue n ASP 148 Cb 0.37 -0.64 0.07 0.00 -0.02 0.00 0.00 41.12 40.90 1nue n ASP 148 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1nue n TRP 149 N -1.85 0.00 -0.08 1.24 7.02 0.12 -4.20 117.44 119.69 1nue n TRP 149 Ca 0.03 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.43 1nue n TRP 149 Cb 0.22 -0.11 -0.13 0.00 -2.42 0.00 0.00 31.31 28.86 1nue n TRP 149 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1nue n VAL 150 N -1.35 1.14 -4.47 -0.99 0.31 -0.60 -5.00 118.33 107.36 1nue n VAL 150 Ca 0.05 -0.71 -0.23 0.00 -0.01 0.00 0.00 64.34 63.44 1nue n VAL 150 Cb 0.34 -0.54 -0.14 0.00 -0.91 0.00 0.00 33.84 32.60 1nue n VAL 150 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1nue s TYR 151 N -2.42 1.56 -2.00 3.52 2.02 -0.32 -5.11 117.35 114.60 1nue s TYR 151 Ca -0.08 -0.37 0.12 0.00 -0.37 0.00 0.00 57.07 56.37 1nue s TYR 151 Cb 0.05 -0.92 0.74 0.00 -0.40 0.00 0.00 41.96 41.43 1nue s TYR 151 CO 0.69 0.08 1.17 0.39 -1.57 0.00 0.00 175.55 176.31